N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
TL;DR: N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine (CAS 57596-70-0) is a chemical compound with molecular formula C7H9BrClF2NO3S and molecular weight 338.9143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid
Also Known As: N-Acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L-cysteine, 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid, N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine, N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine, ALANINE, N-ACETYL-3-((2-BROMO-2-CHLORO-1,1-DIFLUOROETHYL)THIO)-, L-
Technical Specifications
| Molecular Formula | C7H9BrClF2NO3S |
| Molecular Weight | 338.9143 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.9143 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | CC(=O)NC(CSC(C(Cl)Br)(F)F)C(=O)O |
| InChIKey | FFSXNJGWJHTJHD-UHFFFAOYSA-N |
Product Description
Applications: N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is a fine chemical identified by CAS number 57596-70-0 and the molecular formula C7H9BrClF2NO3S and a molecular weight of 338.91 g/mol. Synonyms include N-Acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L-cysteine and 2-acetamido-3-(2-bromo-2-chloro-1,1-difluoroethyl)sulfanylpropanoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
Property Insights of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine. Following Lipinski's Rule of Five, N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
The CAS number of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is 57596-70-0.
What is the molecular formula of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
The molecular formula of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is C7H9BrClF2NO3S.
What is the molecular weight of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
The molecular weight of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is 338.9143 g/mol.
What are the applications of N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
You can request a quote for N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine?
Yes, CoreyChem provides custom synthesis services for N-Acetyl-3-((2-bromo-2-chloro-1,1-difluoroethyl)thio)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.